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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-[(1S)-1-(4-fluorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 8.65 -11.06 1 3 0 38 306.387 2 ↓
Hi High (pH 8-9.5) 3.38 7.62 -37 0 3 -1 41 305.379 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(4-fluorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(4-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 8.72 -10.55 1 3 0 38 306.387 2 ↓
Hi High (pH 8-9.5) 3.38 7.67 -35.52 0 3 -1 41 305.379 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(2-chlorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 8.92 -11.86 1 3 0 38 322.842 2 ↓
Hi High (pH 8-9.5) 3.84 7.85 -39.24 0 3 -1 41 321.834 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(2-chlorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(2-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 9.36 -10.98 1 3 0 38 322.842 2 ↓
Hi High (pH 8-9.5) 3.84 8.32 -38.13 0 3 -1 41 321.834 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-chlorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(3-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 9.09 -10.53 1 3 0 38 322.842 2 ↓
Hi High (pH 8-9.5) 3.87 8.07 -36.65 0 3 -1 41 321.834 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-chlorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(3-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 9.16 -10.29 1 3 0 38 322.842 2 ↓
Hi High (pH 8-9.5) 3.87 8.11 -35.93 0 3 -1 41 321.834 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(4-chlorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(4-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 9.1 -10.64 1 3 0 38 322.842 2 ↓
Hi High (pH 8-9.5) 3.89 8.07 -36.91 0 3 -1 41 321.834 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(4-chlorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(4-chlorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 9.17 -10.14 1 3 0 38 322.842 2 ↓
Hi High (pH 8-9.5) 3.89 8.12 -35.53 0 3 -1 41 321.834 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(4-bromophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(4-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 9.2 -10.58 1 3 0 38 367.293 2 ↓
Hi High (pH 8-9.5) 4.02 8.18 -36.88 0 3 -1 41 366.285 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(4-bromophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(4-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 9.28 -10.12 1 3 0 38 367.293 2 ↓
Hi High (pH 8-9.5) 4.02 8.23 -35.45 0 3 -1 41 366.285 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(o-tolyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(o-tolyl)ethyl]-2-sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 9.02 -12.14 1 3 0 38 302.424 2 ↓
Hi High (pH 8-9.5) 3.61 7.94 -40.86 0 3 -1 41 301.416 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(o-tolyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(o-tolyl)ethyl]-2-sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 9.03 -12.04 1 3 0 38 302.424 2 ↓
Hi High (pH 8-9.5) 3.61 7.97 -40.66 0 3 -1 41 301.416 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(2-fluorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(2-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 8.58 -12.42 1 3 0 38 306.387 2 ↓
Hi High (pH 8-9.5) 3.33 7.53 -40.11 0 3 -1 41 305.379 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(2-fluorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(2-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 8.97 -11.76 1 3 0 38 306.387 2 ↓
Hi High (pH 8-9.5) 3.33 7.91 -39.44 0 3 -1 41 305.379 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-fluorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(3-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 8.64 -10.95 1 3 0 38 306.387 2 ↓
Hi High (pH 8-9.5) 3.35 7.63 -36.67 0 3 -1 41 305.379 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-fluorophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(3-fluorophenyl)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 8.72 -10.73 1 3 0 38 306.387 2 ↓
Hi High (pH 8-9.5) 3.35 7.67 -36.05 0 3 -1 41 305.379 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(p-tolyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(p-tolyl)ethyl]-2-sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 9.64 -12.08 1 3 0 38 302.424 2 ↓
Hi High (pH 8-9.5) 3.66 8.19 -40.11 0 3 -1 41 301.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-1-(p-tolyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(p-tolyl)ethyl]-2-sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 9.32 -10.9 1 3 0 38 302.424 2 ↓
Hi High (pH 8-9.5) 3.66 8.28 -39.23 0 3 -1 41 301.416 2 ↓

Analogs

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Popular Name: 3-[(1S)-1-(3-bromophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1S)-1-(3-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 9.19 -10.49 1 3 0 38 367.293 2 ↓
Hi High (pH 8-9.5) 4.00 8.18 -36.59 0 3 -1 41 366.285 2 ↓

Analogs

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Popular Name: 3-[(1R)-1-(3-bromophenyl)ethyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(1R)-1-(3-bromophenyl)ethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.54 9.27 -10.16 1 3 0 38 367.293 2 ↓
Hi High (pH 8-9.5) 4.00 8.22 -35.8 0 3 -1 41 366.285 2 ↓

Analogs

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Popular Name: 3-[(3,4-difluorophenyl)methyl]-2-sulfanyl-thieno[2,3-d]pyrimidin-4-one 3-[(3,4-difluorophenyl)methyl]-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 8.2 -10.65 1 3 0 38 310.35 2 ↓
Mid Mid (pH 6-8) 3.11 6.95 -33.42 0 3 -1 41 309.342 2 ↓

Parameters Provided:

ring.id = 28257
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 28257 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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